[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl-(2-hydroxyethyl)-(phenylmethyl)azanium

Systemtic Name: [2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl-(2-hydroxyethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-(2-hydroxyethyl)ammonium CAS Name: [2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-(2-hydroxyethyl)azanium Traditional Name: benzyl-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]-(2-hydroxyethyl)ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](CCO)CC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](CCO)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-2-29(27,28)22-23-15-21(25(22)17-20-11-7-4-8-12-20)18-24(13-14-26)16-19-9-5-3-6-10-19/h3-12,15,26H,2,13-14,16-18H2,1H3/p+1